N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide

C25H33N3O3S — CID 74659700

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
SMILESCCN(c1ccc(NC(=O)C2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)cc1)C(C)C
InChIInChI=1S/C25H33N3O3S/c1-4-28(20(2)3)24-12-10-23(11-13-24)26-25(29)22-14-17-27(18-15-22)32(30,31)19-16-21-8-6-5-7-9-21/h5-13,16,19-20,22H,4,14-15,17-18H2,1-3H3,(H,26,29)
InChIKeyUTJLULUDRBGDRV-UHFFFAOYSA-N
MW455.62 g/mol
LogP4.57
Rot. Bonds8

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide (PubChem CID 74659700) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
PubChem CID74659700
Molecular FormulaC25H33N3O3S
Molecular Weight455.62 g/mol
Exact Mass455.22
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
SMILESCCN(c1ccc(NC(=O)C2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)cc1)C(C)C
InChIInChI=1S/C25H33N3O3S/c1-4-28(20(2)3)24-12-10-23(11-13-24)26-25(29)22-14-17-27(18-15-22)32(30,31)19-16-21-8-6-5-7-9-21/h5-13,16,19-20,22H,4,14-15,17-18H2,1-3H3,(H,26,29)
InChIKeyUTJLULUDRBGDRV-UHFFFAOYSA-N
XLogP4.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.62
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26894064
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26894111
1-[(E)-2-phenylethenyl]sulfonyl-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 26290697
N-[(2R)-5-methylhexan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 8000435
N'-methyl-N'-phenyl-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbohydrazide
CID 9480115
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 8756858
tert-butyl 4-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]piperidine-1-carboxylate
CID 46560459
1-[(E)-2-phenylethenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 26592122
N-[[4-(butanoylamino)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 55781450
N-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 27335639
N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 76859981
1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26087824

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide (CID 74659700) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide is CCN(c1ccc(NC(=O)C2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide?
The InChIKey is UTJLULUDRBGDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S/c1-4-28(20(2)3)24-12-10-23(11-13-24)26-25(29)22-14-17-27(18-15-22)32(30,31)19-16-21-8-6-5-7-9-21/h5-13,16,19-20,22H,4,14-15,17-18H2,1-3H3,(H,26,29).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide has a molecular weight of 455.62 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 74659700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).